ethyl (4S)-6-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=C(SC(=C2)C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=C(SC(=C2)C)C)C(=O)OCC

InChI

InChI=1S/C20H26N2O6S/c1-5-14-18(19(25)27-6-2)15(22-20(26)21-14)10-28-17(24)8-7-16(23)13-9-11(3)29-12(13)4/h9,14H,5-8,10H2,1-4H3,(H2,21,22,26)/t14-/m0/s1